Molecule

ID:63480

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂N₃
Molecular Mass
202.0407
Exact Mass
200.98605254
Charge
0
InChI
InChI=1S/C7H5Cl2N3/c1-3-2-4-5(8)11-7(9)12-6(4)10-3/h2H,1H3,(H,10,11,12)
InChIKey
QOEYSTWXKJBVQE-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)[nH]c(c2)C
Isomeric Smiles
c1(nc(nc2[nH]c(cc12)C)Cl)Cl
Calculated Properties
JChem
Acid pKa
13.324979
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4482927
LogD (pH = 7.4)
2.4482925
Log P
2.448293
Molar Refractivity
50.2758
Polarizability
18.847658
Polar Surface Area
41.57
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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